7-[(2-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-8-(m-anisylthio)-1,3-dimethyl-xanthine Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O3S/c1-25-19-18(20(28)26(2)22(25)29)27(12-15-8-4-5-10-17(15)23)21(24-19)31-13-14-7-6-9-16(11-14)30-3/h4-11H,12-13H2,1-3H3